Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of Nitrobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.73 |
| ▸ | LMNA | P02545 | 3/20 | 0.73 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL5545953 | 0.98 | ALDH1A1 (0.76) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL11152218 | 0.95 | ALDH1A1 (0.73) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL19327164 | 0.93 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL27560682 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL11152213 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL6572610 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL8367518 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES2CES1CA2 | |
| Nitrobenzene SCHEMBL3888506 | 0.88 | ALDH1A1 (0.94) | ALDH1A1LMNACES2CES1CA2 | |
| Sulfuric Acid SCHEMBL28654341 | 0.85 | CA1 (0.62) | ALDH1A1LMNACES1CA2CA12 | |
| Nitrobenzene SCHEMBL27304275 | 0.85 | ALDH1A1 (0.89) | ALDH1A1LMNACES2CES1CA2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111850092-A | Soil biological activity and productivity evaluation method based on soil enzyme activity determination | 甘肃省地质矿产勘查开发局第三地质矿产勘查院(甘肃遥感地质中心、甘肃地质灾害防治工程勘查设计院、甘肃省地质遗迹评估中心、甘肃省中心实验室) | 2020-10-30 | — | — | CN | claimed |
| WO-2025007381-A1 | HIGH-TEMPERATURE THERMAL INITIATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF | 湖北及安盾消防科技有限公司 | 2025-01-09 | — | — | WO | disclosed |
| CN-119220184-A | Alkali polishing additive for rapid polishing of monocrystalline silicon and application method thereof | 嘉兴市小辰光伏科技有限公司 | 2024-12-31 | — | — | CN | disclosed |
| CN-118339282-A | Use and method of sulfating a substrate with a mutated arylsulftransferase | 赛诺菲 | 2024-07-12 | — | — | CN | disclosed |
| CN-117065254-A | High-temperature thermal initiator and preparation method and application thereof | 湖北及安盾消防科技有限公司 | 2023-11-17 | — | — | CN | disclosed |
| CN-111850092-A | Soil biological activity and productivity evaluation method based on soil enzyme activity determination | 甘肃省地质矿产勘查开发局第三地质矿产勘查院(甘肃遥感地质中心、甘肃地质灾害防治工程勘查设计院、甘肃省地质遗迹评估中心、甘肃省中心实验室) | 2020-10-30 | — | — | CN | disclosed |
| US-20200163913-A1 | CA-4 Antitumour Drug, Synthesis Method and Use Thereof | SHANGHAI HUALI BIOMEDICAL CO., LTD. (CN) | 2020-05-28 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20200163913-A1 | CA-4 Antitumour Drug, Synthesis Method and Use Thereof | CA4, CA14, CA6 | TLR9 4213/4885ALDH1A1 1552/4885LMNA 4625/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.